SCHEMBL4069976

SCHEMBL4069976

O=CN(O)C[C@@H](CC1CCCC1)C(=O)NCNC(=O)c1cc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 8/20 0.53
MMP12 P39900 3/20 0.53
RAB9A P51151 2/20 0.48
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16898118 0.82 BMP1 (0.68) BMP1MMP12CTSLCTSSCTSK
SCHEMBL16898117 0.82 BMP1 (0.68) BMP1MMP12CTSLCTSSCTSK
SCHEMBL6757298 0.81 MMP1 (0.42) RAB9ACTSLCTSSCTSKPOLB
SCHEMBL4069000 0.81 BMP1 (0.72) BMP1MMP12ALDH1A1TP53HPGD
SCHEMBL18377827 0.74 MEN1 (0.48) BMP1MMP12CTSLCTSS
SCHEMBL18378799 0.73 BMP1 (0.49) BMP1MMP12CTSLCTSS
SCHEMBL6023714 0.73 BMP1 (0.62) BMP1MMP12RAB9AALDH1A1HPGD
SCHEMBL6237132 0.73 HPGD (0.46) BMP1RAB9AALDH1A1TP53HPGD
SCHEMBL4071620 0.72
SCHEMBL13911532 0.70 MAPT (0.52) RAB9AALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585757-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP claimed
JP-2006516120-A 2006-06-22 JP claimed
EP-1585757-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-19 EP claimed
WO-2004052919-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO claimed
EP-1585757-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
EP-1585757-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-19 EP disclosed
WO-2004052919-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed